2,4-difluoro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1H-indazol-6-yl)benzamide

C20H21F2N5O2 — CID 501357

IUPAC2,4-difluoro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1H-indazol-6-yl)benzamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)c1cc(N2CCN(CCO)CC2)c(F)cc1F
InChIInChI=1S/C20H21F2N5O2/c21-16-11-17(22)19(27-5-3-26(4-6-27)7-8-28)10-15(16)20(29)24-14-2-1-13-12-23-25-18(13)9-14/h1-2,9-12,28H,3-8H2,(H,23,25)(H,24,29)
InChIKeyLUMLAJAVOADZJX-UHFFFAOYSA-N
MW401.42 g/mol
LogP2.21
Rot. Bonds5

About 2,4-difluoro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1H-indazol-6-yl)benzamide

2,4-difluoro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1H-indazol-6-yl)benzamide (PubChem CID 501357) has the molecular formula C20H21F2N5O2 and a molecular weight of 401.42 g/mol. Its IUPAC name is 2,4-difluoro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1H-indazol-6-yl)benzamide.

Molecular Properties

Compound Name2,4-difluoro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1H-indazol-6-yl)benzamide
PubChem CID501357
Molecular FormulaC20H21F2N5O2
Molecular Weight401.42 g/mol
Exact Mass401.17
IUPAC Name2,4-difluoro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1H-indazol-6-yl)benzamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)c1cc(N2CCN(CCO)CC2)c(F)cc1F
InChIInChI=1S/C20H21F2N5O2/c21-16-11-17(22)19(27-5-3-26(4-6-27)7-8-28)10-15(16)20(29)24-14-2-1-13-12-23-25-18(13)9-14/h1-2,9-12,28H,3-8H2,(H,23,25)(H,24,29)
InChIKeyLUMLAJAVOADZJX-UHFFFAOYSA-N
XLogP2.21
TPSA84.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1H-indazol-6-yl)benzamide?
The IUPAC name of 2,4-difluoro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1H-indazol-6-yl)benzamide (CID 501357) is 2,4-difluoro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1H-indazol-6-yl)benzamide.
What is the SMILES notation for 2,4-difluoro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1H-indazol-6-yl)benzamide?
The canonical SMILES for 2,4-difluoro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1H-indazol-6-yl)benzamide is O=C(Nc1ccc2cn[nH]c2c1)c1cc(N2CCN(CCO)CC2)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1H-indazol-6-yl)benzamide?
The InChIKey is LUMLAJAVOADZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O2/c21-16-11-17(22)19(27-5-3-26(4-6-27)7-8-28)10-15(16)20(29)24-14-2-1-13-12-23-25-18(13)9-14/h1-2,9-12,28H,3-8H2,(H,23,25)(H,24,29).
What are the key properties of 2,4-difluoro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1H-indazol-6-yl)benzamide?
2,4-difluoro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1H-indazol-6-yl)benzamide has a molecular weight of 401.42 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1H-indazol-6-yl)benzamide is sourced from PubChem (CID 501357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).